REMARK  Name = BDB061179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.383   0.511   0.405  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -1.913  -0.798   0.076  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1       -0.560  -1.021   0.174  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.375  -2.338  -0.130  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.524  -2.881  -0.461  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.356  -0.036   0.548  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.068   1.154   0.867  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1       -2.492  -1.910  -0.339  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1       -1.429   1.395   0.780  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -7.274  -0.066  -0.300  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.069   0.482   0.446  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -4.762  -0.186   0.049  0.00  0.00    +0.117 C 
ATOM     13  N   LIG    1       -3.743   0.806   0.335  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1       -4.319   2.085   0.403  0.00  0.00    +0.220 C 
ATOM     15  O   LIG    1       -3.767   3.163   0.568  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.803   1.952   0.161  0.00  0.00    +0.101 C 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  N   LIG    1        1.703  -0.313   0.608  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.142   0.432   1.149  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.447  -0.457  -0.641  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.857  -0.860  -0.336  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.859   0.062  -0.047  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.828   1.545  -0.046  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        6.167   1.822   0.639  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        7.028   0.673   0.471  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        6.154  -0.355   0.232  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.515  -1.688   0.243  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.523  -2.631  -0.024  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.215  -2.215  -0.304  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.286  -3.149  -0.559  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4